(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine

C11H19F2NO — CID 105147656

IUPAC(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine
SMILESNC(C1CCC(F)(F)CC1)C1CCOC1
InChIInChI=1S/C11H19F2NO/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h8-10H,1-7,14H2
InChIKeyGRJMCPKBIUUZJY-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.18
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine

(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine (PubChem CID 105147656) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine
PubChem CID105147656
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine
SMILESNC(C1CCC(F)(F)CC1)C1CCOC1
InChIInChI=1S/C11H19F2NO/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h8-10H,1-7,14H2
InChIKeyGRJMCPKBIUUZJY-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
CID 163295550
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
4-Propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748327
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748888
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61751074

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine (CID 105147656) is (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine is NC(C1CCC(F)(F)CC1)C1CCOC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine?
The InChIKey is GRJMCPKBIUUZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h8-10H,1-7,14H2.
What are the key properties of (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine?
(4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine has a molecular weight of 219.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 105147656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).