3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene

C23H23F5 — CID 144909525

IUPAC3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene
SMILESCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(CCCF)CC3)c(F)c1F)C2
InChIInChI=1S/C23H23F5/c1-12-9-15-10-16-11-17(14-6-4-13(5-7-14)3-2-8-24)21(26)23(28)19(16)18(15)22(27)20(12)25/h9,11,13-14H,2-8,10H2,1H3
InChIKeyWJDZZRBWTDQQRV-UHFFFAOYSA-N
MW394.43 g/mol
LogP7.15
Rot. Bonds4

About 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene

3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene (PubChem CID 144909525) has the molecular formula C23H23F5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene.

Molecular Properties

Compound Name3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene
PubChem CID144909525
Molecular FormulaC23H23F5
Molecular Weight394.43 g/mol
Exact Mass394.17
IUPAC Name3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene
SMILESCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(CCCF)CC3)c(F)c1F)C2
InChIInChI=1S/C23H23F5/c1-12-9-15-10-16-11-17(14-6-4-13(5-7-14)3-2-8-24)21(26)23(28)19(16)18(15)22(27)20(12)25/h9,11,13-14H,2-8,10H2,1H3
InChIKeyWJDZZRBWTDQQRV-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene
CID 138511411
2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane
CID 144909610
1,3,4-trifluoro-2-methyl-5-(4-propylcyclohexyl)benzene
CID 18635056
3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene
CID 118891238
7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
CID 69236520
2-butyl-6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868866
2,3-difluoro-1-[4-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 118316622
2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene
CID 20663566
1-[difluoro-[4-(3-fluoropropyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20576240
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1,3-difluoro-5-[4-(6-fluorohexyl)cyclohexyl]-2-methylbenzene
CID 20663462
6-ethoxy-3,4,5-trifluoro-2-(4-pentylcyclohexyl)-9H-xanthene
CID 118891126

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene?
The IUPAC name of 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene (CID 144909525) is 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene.
What is the SMILES notation for 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene?
The canonical SMILES for 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene is Cc1cc2c(c(F)c1F)-c1c(cc(C3CCC(CCCF)CC3)c(F)c1F)C2.
What is the InChIKey of 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene?
The InChIKey is WJDZZRBWTDQQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5/c1-12-9-15-10-16-11-17(14-6-4-13(5-7-14)3-2-8-24)21(26)23(28)19(16)18(15)22(27)20(12)25/h9,11,13-14H,2-8,10H2,1H3.
What are the key properties of 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene?
3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene has a molecular weight of 394.43 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene is sourced from PubChem (CID 144909525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).