[1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid

C10H14F2N2O3 — CID 134519494

IUPAC[1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H14F2N2O3/c11-10(12)3-5-14(6-4-10)7(15)9(1-2-9)13-8(16)17/h13H,1-6H2,(H,16,17)
InChIKeyWWQLVDFUNLEPBO-UHFFFAOYSA-N
MW248.23 g/mol
LogP1.04
Rot. Bonds2

About [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid

[1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid (PubChem CID 134519494) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid
PubChem CID134519494
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name[1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H14F2N2O3/c11-10(12)3-5-14(6-4-10)7(15)9(1-2-9)13-8(16)17/h13H,1-6H2,(H,16,17)
InChIKeyWWQLVDFUNLEPBO-UHFFFAOYSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid?
The IUPAC name of [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid (CID 134519494) is [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid.
What is the SMILES notation for [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid?
The canonical SMILES for [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid is O=C(O)NC1(C(=O)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid?
The InChIKey is WWQLVDFUNLEPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c11-10(12)3-5-14(6-4-10)7(15)9(1-2-9)13-8(16)17/h13H,1-6H2,(H,16,17).
What are the key properties of [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid?
[1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid has a molecular weight of 248.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid is sourced from PubChem (CID 134519494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).