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

C10H20FNO — CID 58380838

IUPAC4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol
SMILESCCC1(C(N)CF)CCC(O)CC1
InChIInChI=1S/C10H20FNO/c1-2-10(9(12)7-11)5-3-8(13)4-6-10/h8-9,13H,2-7,12H2,1H3
InChIKeyXEYVNXUMPOITFH-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.61
Rot. Bonds3

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

4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol (PubChem CID 58380838) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol
PubChem CID58380838
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol
SMILESCCC1(C(N)CF)CCC(O)CC1
InChIInChI=1S/C10H20FNO/c1-2-10(9(12)7-11)5-3-8(13)4-6-10/h8-9,13H,2-7,12H2,1H3
InChIKeyXEYVNXUMPOITFH-UHFFFAOYSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol (CID 58380838) is 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol is CCC1(C(N)CF)CCC(O)CC1.
What is the InChIKey of 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol?
The InChIKey is XEYVNXUMPOITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-2-10(9(12)7-11)5-3-8(13)4-6-10/h8-9,13H,2-7,12H2,1H3.
What are the key properties of 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol?
4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol has a molecular weight of 189.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 58380838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).