[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid

C11H20F2N2O2 — CID 67351759

IUPAC[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCC(F)(F)[C@H]1N
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)15(9(16)17)7-5-4-6-11(12,13)8(7)14/h7-8H,4-6,14H2,1-3H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyFOWSKENLHFKAKP-SFYZADRCSA-N
MW250.29 g/mol
LogP2.28
Rot. Bonds1

About [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid

[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid (PubChem CID 67351759) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid
PubChem CID67351759
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCC(F)(F)[C@H]1N
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)15(9(16)17)7-5-4-6-11(12,13)8(7)14/h7-8H,4-6,14H2,1-3H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyFOWSKENLHFKAKP-SFYZADRCSA-N
XLogP2.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid?
The IUPAC name of [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid (CID 67351759) is [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid?
The canonical SMILES for [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CCCC(F)(F)[C@H]1N.
What is the InChIKey of [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid?
The InChIKey is FOWSKENLHFKAKP-SFYZADRCSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-10(2,3)15(9(16)17)7-5-4-6-11(12,13)8(7)14/h7-8H,4-6,14H2,1-3H3,(H,16,17)/t7-,8+/m1/s1.
What are the key properties of [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid?
[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid has a molecular weight of 250.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-amino-3,3-difluorocyclohexyl]-tert-butylcarbamic acid is sourced from PubChem (CID 67351759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).