[4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid

C11H20F2N2O2 — CID 129248000

IUPAC[4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid
SMILESCC(NCC1CCC(NC(=O)O)CC1)C(F)F
InChIInChI=1S/C11H20F2N2O2/c1-7(10(12)13)14-6-8-2-4-9(5-3-8)15-11(16)17/h7-10,14-15H,2-6H2,1H3,(H,16,17)
InChIKeyUAHXBRDGWYRLCP-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.06
Rot. Bonds5

About [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid

[4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid (PubChem CID 129248000) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid
PubChem CID129248000
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name[4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid
SMILESCC(NCC1CCC(NC(=O)O)CC1)C(F)F
InChIInChI=1S/C11H20F2N2O2/c1-7(10(12)13)14-6-8-2-4-9(5-3-8)15-11(16)17/h7-10,14-15H,2-6H2,1H3,(H,16,17)
InChIKeyUAHXBRDGWYRLCP-UHFFFAOYSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid (CID 129248000) is [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid is CC(NCC1CCC(NC(=O)O)CC1)C(F)F.
What is the InChIKey of [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid?
The InChIKey is UAHXBRDGWYRLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-7(10(12)13)14-6-8-2-4-9(5-3-8)15-11(16)17/h7-10,14-15H,2-6H2,1H3,(H,16,17).
What are the key properties of [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid?
[4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid has a molecular weight of 250.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 129248000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).