(4,4-difluorocyclohexyl)methylcarbamic acid

C8H13F2NO2 — CID 66648987

IUPAC(4,4-difluorocyclohexyl)methylcarbamic acid
SMILESO=C(O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO2/c9-8(10)3-1-6(2-4-8)5-11-7(12)13/h6,11H,1-5H2,(H,12,13)
InChIKeyJEFHRBUTAPCTAX-UHFFFAOYSA-N
MW193.19 g/mol
LogP2.08
Rot. Bonds2

About (4,4-difluorocyclohexyl)methylcarbamic acid

(4,4-difluorocyclohexyl)methylcarbamic acid (PubChem CID 66648987) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)methylcarbamic acid.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)methylcarbamic acid
PubChem CID66648987
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name(4,4-difluorocyclohexyl)methylcarbamic acid
SMILESO=C(O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO2/c9-8(10)3-1-6(2-4-8)5-11-7(12)13/h6,11H,1-5H2,(H,12,13)
InChIKeyJEFHRBUTAPCTAX-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)methylcarbamic acid?
The IUPAC name of (4,4-difluorocyclohexyl)methylcarbamic acid (CID 66648987) is (4,4-difluorocyclohexyl)methylcarbamic acid.
What is the SMILES notation for (4,4-difluorocyclohexyl)methylcarbamic acid?
The canonical SMILES for (4,4-difluorocyclohexyl)methylcarbamic acid is O=C(O)NCC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)methylcarbamic acid?
The InChIKey is JEFHRBUTAPCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)3-1-6(2-4-8)5-11-7(12)13/h6,11H,1-5H2,(H,12,13).
What are the key properties of (4,4-difluorocyclohexyl)methylcarbamic acid?
(4,4-difluorocyclohexyl)methylcarbamic acid has a molecular weight of 193.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)methylcarbamic acid is sourced from PubChem (CID 66648987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).