[1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid

C16H19F2NO3 — CID 90386211

IUPAC[1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(OC3CCC(F)(F)CC3)cc2)CC1
InChIInChI=1S/C16H19F2NO3/c17-16(18)7-5-13(6-8-16)22-12-3-1-11(2-4-12)15(9-10-15)19-14(20)21/h1-4,13,19H,5-10H2,(H,20,21)
InChIKeyQMVNOUFXZIUJSH-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.90
Rot. Bonds4

About [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid

[1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid (PubChem CID 90386211) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid
PubChem CID90386211
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name[1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(OC3CCC(F)(F)CC3)cc2)CC1
InChIInChI=1S/C16H19F2NO3/c17-16(18)7-5-13(6-8-16)22-12-3-1-11(2-4-12)15(9-10-15)19-14(20)21/h1-4,13,19H,5-10H2,(H,20,21)
InChIKeyQMVNOUFXZIUJSH-UHFFFAOYSA-N
XLogP3.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid?
The IUPAC name of [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid (CID 90386211) is [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid is O=C(O)NC1(c2ccc(OC3CCC(F)(F)CC3)cc2)CC1.
What is the InChIKey of [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid?
The InChIKey is QMVNOUFXZIUJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c17-16(18)7-5-13(6-8-16)22-12-3-1-11(2-4-12)15(9-10-15)19-14(20)21/h1-4,13,19H,5-10H2,(H,20,21).
What are the key properties of [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid?
[1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid has a molecular weight of 311.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4,4-difluorocyclohexyl)oxyphenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 90386211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).