4-amino-4-(2-fluoroethyl)cyclohexan-1-ol

C8H16FNO — CID 164649074

IUPAC4-amino-4-(2-fluoroethyl)cyclohexan-1-ol
SMILESNC1(CCF)CCC(O)CC1
InChIInChI=1S/C8H16FNO/c9-6-5-8(10)3-1-7(11)2-4-8/h7,11H,1-6,10H2
InChIKeyPXBUKGRBGNBWMY-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.98
Rot. Bonds2

About 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol

4-amino-4-(2-fluoroethyl)cyclohexan-1-ol (PubChem CID 164649074) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-(2-fluoroethyl)cyclohexan-1-ol
PubChem CID164649074
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-amino-4-(2-fluoroethyl)cyclohexan-1-ol
SMILESNC1(CCF)CCC(O)CC1
InChIInChI=1S/C8H16FNO/c9-6-5-8(10)3-1-7(11)2-4-8/h7,11H,1-6,10H2
InChIKeyPXBUKGRBGNBWMY-UHFFFAOYSA-N
XLogP0.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol (CID 164649074) is 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol is NC1(CCF)CCC(O)CC1.
What is the InChIKey of 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol?
The InChIKey is PXBUKGRBGNBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-6-5-8(10)3-1-7(11)2-4-8/h7,11H,1-6,10H2.
What are the key properties of 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol?
4-amino-4-(2-fluoroethyl)cyclohexan-1-ol has a molecular weight of 161.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-fluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 164649074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).