2-butoxy-9-(trifluoromethyl)fluoren-9-ol

C18H17F3O2 — CID 59492669

IUPAC2-butoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H17F3O2/c1-2-3-10-23-12-8-9-14-13-6-4-5-7-15(13)17(22,16(14)11-12)18(19,20)21/h4-9,11,22H,2-3,10H2,1H3
InChIKeyDHLWJWGZGUKUHN-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.64
Rot. Bonds4

About 2-butoxy-9-(trifluoromethyl)fluoren-9-ol

2-butoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492669) has the molecular formula C18H17F3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-butoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-butoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492669
Molecular FormulaC18H17F3O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-butoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H17F3O2/c1-2-3-10-23-12-8-9-14-13-6-4-5-7-15(13)17(22,16(14)11-12)18(19,20)21/h4-9,11,22H,2-3,10H2,1H3
InChIKeyDHLWJWGZGUKUHN-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl]phenol
CID 139596843
2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110419
2-[(1S)-5-{3-[4-(trifluoromethoxy)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110512
(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
(3E,5E)-6-[3-(3,4-Bis-hydroxymethylbenzyloxy)-phenyl]-1,1,1-trifluoro-2-trifluoromethylocta-3,5-dien-2-ol
CID 59263692
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-2-enyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
CID 49782554
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol
CID 57403753
1-[3-[[2-(Hydroxymethyl)phenyl]methoxy]phenyl]pentan-1-ol
CID 44265504
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
CID 59492476
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-butoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59492669) is 2-butoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-butoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-butoxy-9-(trifluoromethyl)fluoren-9-ol is CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-butoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is DHLWJWGZGUKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O2/c1-2-3-10-23-12-8-9-14-13-6-4-5-7-15(13)17(22,16(14)11-12)18(19,20)21/h4-9,11,22H,2-3,10H2,1H3.
What are the key properties of 2-butoxy-9-(trifluoromethyl)fluoren-9-ol?
2-butoxy-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 322.33 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).