(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine

C10H20FN — CID 125452009

IUPAC(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine
SMILESCC(C)(C)[C@@H]1CCC[C@H](F)[C@H]1N
InChIInChI=1S/C10H20FN/c1-10(2,3)7-5-4-6-8(11)9(7)12/h7-9H,4-6,12H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyMICNVADAWDZUNG-VGMNWLOBSA-N
MW173.27 g/mol
LogP2.50
Rot. Bonds

About (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine

(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine (PubChem CID 125452009) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine
PubChem CID125452009
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine
SMILESCC(C)(C)[C@@H]1CCC[C@H](F)[C@H]1N
InChIInChI=1S/C10H20FN/c1-10(2,3)7-5-4-6-8(11)9(7)12/h7-9H,4-6,12H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyMICNVADAWDZUNG-VGMNWLOBSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine?
The IUPAC name of (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine (CID 125452009) is (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine.
What is the SMILES notation for (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine?
The canonical SMILES for (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine is CC(C)(C)[C@@H]1CCC[C@H](F)[C@H]1N.
What is the InChIKey of (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine?
The InChIKey is MICNVADAWDZUNG-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2,3)7-5-4-6-8(11)9(7)12/h7-9H,4-6,12H2,1-3H3/t7-,8+,9+/m1/s1.
What are the key properties of (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine?
(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine has a molecular weight of 173.27 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine is sourced from PubChem (CID 125452009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).