(1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol

C16H28F2O2 — CID 90437092

IUPAC(1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol
SMILESCCOC1CCC(C2CC[C@H]([C@H](C)O)C(F)C2F)CC1
InChIInChI=1S/C16H28F2O2/c1-3-20-12-6-4-11(5-7-12)14-9-8-13(10(2)19)15(17)16(14)18/h10-16,19H,3-9H2,1-2H3/t10-,11?,12?,13+,14?,15?,16?/m0/s1
InChIKeyUKLAJTLFNGRQSJ-CMNKBNPHSA-N
MW290.39 g/mol
LogP3.66
Rot. Bonds4

About (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol

(1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol (PubChem CID 90437092) has the molecular formula C16H28F2O2 and a molecular weight of 290.39 g/mol. Its IUPAC name is (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol
PubChem CID90437092
Molecular FormulaC16H28F2O2
Molecular Weight290.39 g/mol
Exact Mass290.21
IUPAC Name(1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol
SMILESCCOC1CCC(C2CC[C@H]([C@H](C)O)C(F)C2F)CC1
InChIInChI=1S/C16H28F2O2/c1-3-20-12-6-4-11(5-7-12)14-9-8-13(10(2)19)15(17)16(14)18/h10-16,19H,3-9H2,1-2H3/t10-,11?,12?,13+,14?,15?,16?/m0/s1
InChIKeyUKLAJTLFNGRQSJ-CMNKBNPHSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol?
The IUPAC name of (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol (CID 90437092) is (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol?
The canonical SMILES for (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol is CCOC1CCC(C2CC[C@H]([C@H](C)O)C(F)C2F)CC1.
What is the InChIKey of (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol?
The InChIKey is UKLAJTLFNGRQSJ-CMNKBNPHSA-N. The full InChI is InChI=1S/C16H28F2O2/c1-3-20-12-6-4-11(5-7-12)14-9-8-13(10(2)19)15(17)16(14)18/h10-16,19H,3-9H2,1-2H3/t10-,11?,12?,13+,14?,15?,16?/m0/s1.
What are the key properties of (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol?
(1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol has a molecular weight of 290.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R)-4-(4-ethoxycyclohexyl)-2,3-difluorocyclohexyl]ethanol is sourced from PubChem (CID 90437092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).