amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol

C16H30FNO — CID 118900344

IUPACamino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol
SMILESCCCC1CCC(C2CCC(C(N)O)CC2)C(F)C1
InChIInChI=1S/C16H30FNO/c1-2-3-11-4-9-14(15(17)10-11)12-5-7-13(8-6-12)16(18)19/h11-16,19H,2-10,18H2,1H3
InChIKeyYMKHOCDJAIZODK-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.62
Rot. Bonds4

About amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol

amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol (PubChem CID 118900344) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol.

Molecular Properties

Compound Nameamino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol
PubChem CID118900344
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Nameamino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol
SMILESCCCC1CCC(C2CCC(C(N)O)CC2)C(F)C1
InChIInChI=1S/C16H30FNO/c1-2-3-11-4-9-14(15(17)10-11)12-5-7-13(8-6-12)16(18)19/h11-16,19H,2-10,18H2,1H3
InChIKeyYMKHOCDJAIZODK-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol?
The IUPAC name of amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol (CID 118900344) is amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol.
What is the SMILES notation for amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol?
The canonical SMILES for amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol is CCCC1CCC(C2CCC(C(N)O)CC2)C(F)C1.
What is the InChIKey of amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol?
The InChIKey is YMKHOCDJAIZODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO/c1-2-3-11-4-9-14(15(17)10-11)12-5-7-13(8-6-12)16(18)19/h11-16,19H,2-10,18H2,1H3.
What are the key properties of amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol?
amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol has a molecular weight of 271.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol is sourced from PubChem (CID 118900344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).