4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol

C11H14FNO — CID 178197444

IUPAC4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol
SMILESCC1(C)[C@H](N)[C@H]1c1ccc(O)cc1F
InChIInChI=1S/C11H14FNO/c1-11(2)9(10(11)13)7-4-3-6(14)5-8(7)12/h3-5,9-10,14H,13H2,1-2H3/t9-,10-/m1/s1
InChIKeySTHBQMPTYFCREZ-NXEZZACHSA-N
MW195.24 g/mol
LogP1.98
Rot. Bonds1

About 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol

4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol (PubChem CID 178197444) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol
PubChem CID178197444
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol
SMILESCC1(C)[C@H](N)[C@H]1c1ccc(O)cc1F
InChIInChI=1S/C11H14FNO/c1-11(2)9(10(11)13)7-4-3-6(14)5-8(7)12/h3-5,9-10,14H,13H2,1-2H3/t9-,10-/m1/s1
InChIKeySTHBQMPTYFCREZ-NXEZZACHSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol?
The IUPAC name of 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol (CID 178197444) is 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol.
What is the SMILES notation for 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol?
The canonical SMILES for 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol is CC1(C)[C@H](N)[C@H]1c1ccc(O)cc1F.
What is the InChIKey of 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol?
The InChIKey is STHBQMPTYFCREZ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(2)9(10(11)13)7-4-3-6(14)5-8(7)12/h3-5,9-10,14H,13H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol?
4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol has a molecular weight of 195.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol is sourced from PubChem (CID 178197444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).