(1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane

C14H20F4OS2 — CID 158003178

IUPAC(1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane
SMILESO[C@@H](C1CCCC1)C(F)(F)C(F)(F)c1ccccc1.S.S
InChIInChI=1S/C14H16F4O.2H2S/c15-13(16,11-8-2-1-3-9-11)14(17,18)12(19)10-6-4-5-7-10;;/h1-3,8-10,12,19H,4-7H2;2*1H2/t12-;;/m0../s1
InChIKeyFDZAEYIIWDRDDI-LTCKWSDVSA-N
MW344.44 g/mol
LogP4.19
Rot. Bonds4

About (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane

(1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane (PubChem CID 158003178) has the molecular formula C14H20F4OS2 and a molecular weight of 344.44 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane
PubChem CID158003178
Molecular FormulaC14H20F4OS2
Molecular Weight344.44 g/mol
Exact Mass344.09
IUPAC Name(1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane
SMILESO[C@@H](C1CCCC1)C(F)(F)C(F)(F)c1ccccc1.S.S
InChIInChI=1S/C14H16F4O.2H2S/c15-13(16,11-8-2-1-3-9-11)14(17,18)12(19)10-6-4-5-7-10;;/h1-3,8-10,12,19H,4-7H2;2*1H2/t12-;;/m0../s1
InChIKeyFDZAEYIIWDRDDI-LTCKWSDVSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 19804783
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CID 154329934
2-bromo-1-cyclohexyl-2,2-difluoroethanol
CID 107140105
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol
CID 69422386
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid
CID 62397462
(R)-cycloheptyl(phenyl)methanol
CID 94502427
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338111
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane?
The IUPAC name of (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane (CID 158003178) is (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane.
What is the SMILES notation for (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane?
The canonical SMILES for (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane is O[C@@H](C1CCCC1)C(F)(F)C(F)(F)c1ccccc1.S.S.
What is the InChIKey of (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane?
The InChIKey is FDZAEYIIWDRDDI-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H16F4O.2H2S/c15-13(16,11-8-2-1-3-9-11)14(17,18)12(19)10-6-4-5-7-10;;/h1-3,8-10,12,19H,4-7H2;2*1H2/t12-;;/m0../s1.
What are the key properties of (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane?
(1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane has a molecular weight of 344.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane is sourced from PubChem (CID 158003178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).