(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C16H21F2NO — CID 105111320

IUPAC(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(C1CCC(F)(F)CC1)C1CCCc2cccnc21
InChIInChI=1S/C16H21F2NO/c17-16(18)8-6-12(7-9-16)15(20)13-5-1-3-11-4-2-10-19-14(11)13/h2,4,10,12-13,15,20H,1,3,5-9H2
InChIKeyGCCBMRJYCWMMSI-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.69
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 105111320) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID105111320
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(C1CCC(F)(F)CC1)C1CCCc2cccnc21
InChIInChI=1S/C16H21F2NO/c17-16(18)8-6-12(7-9-16)15(20)13-5-1-3-11-4-2-10-19-14(11)13/h2,4,10,12-13,15,20H,1,3,5-9H2
InChIKeyGCCBMRJYCWMMSI-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745215
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
(3-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79746219
oxolan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745835
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115386297
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79972633
6-bicyclo[3.1.0]hexanyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 115819421
4-[hydroxy(5,6,7,8-tetrahydroquinolin-8-yl)methyl]benzonitrile
CID 115481009

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 105111320) is (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is OC(C1CCC(F)(F)CC1)C1CCCc2cccnc21.
What is the InChIKey of (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is GCCBMRJYCWMMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-16(18)8-6-12(7-9-16)15(20)13-5-1-3-11-4-2-10-19-14(11)13/h2,4,10,12-13,15,20H,1,3,5-9H2.
What are the key properties of (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 281.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 105111320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).